2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid

C12H17N5O2 — CID 63065023

IUPAC2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
SMILESCc1cc(N(CC(=O)O)CC(C)C)n2ncnc2n1
InChIInChI=1S/C12H17N5O2/c1-8(2)5-16(6-11(18)19)10-4-9(3)15-12-13-7-14-17(10)12/h4,7-8H,5-6H2,1-3H3,(H,18,19)
InChIKeyXZBAJIPUTSFCJY-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.98
Rot. Bonds5

About 2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid

2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid (PubChem CID 63065023) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
PubChem CID63065023
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
SMILESCc1cc(N(CC(=O)O)CC(C)C)n2ncnc2n1
InChIInChI=1S/C12H17N5O2/c1-8(2)5-16(6-11(18)19)10-4-9(3)15-12-13-7-14-17(10)12/h4,7-8H,5-6H2,1-3H3,(H,18,19)
InChIKeyXZBAJIPUTSFCJY-UHFFFAOYSA-N
XLogP0.98
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid (CID 63065023) is 2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid is Cc1cc(N(CC(=O)O)CC(C)C)n2ncnc2n1.
What is the InChIKey of 2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid?
The InChIKey is XZBAJIPUTSFCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8(2)5-16(6-11(18)19)10-4-9(3)15-12-13-7-14-17(10)12/h4,7-8H,5-6H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid?
2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid has a molecular weight of 263.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid is sourced from PubChem (CID 63065023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).